==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 15-AUG-06 2I27 . COMPND 2 MOLECULE: NEW ANTIGEN RECEPTOR ANCESTRAL; . SOURCE 2 ORGANISM_SCIENTIFIC: GINGLYMOSTOMA CIRRATUM; . AUTHOR R.L.STANFIELD,I.A.WILSON . 217 4 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 30 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 4 2 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 N R 0 0 95 0, 0.0 23,-3.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 140.0 43.4 19.5 37.7 2 3 N V E -A 23 0A 10 97,-0.4 2,-0.8 21,-0.2 99,-0.4 -0.888 360.0-157.8-104.7 117.4 40.7 22.0 38.3 3 4 N D E -A 22 0A 34 19,-3.4 19,-1.4 -2,-0.6 2,-0.5 -0.856 14.6-175.8 -99.6 111.4 37.3 21.0 36.9 4 5 N Q E -A 21 0A 14 -2,-0.8 17,-0.2 17,-0.2 97,-0.1 -0.881 15.4-132.4-109.8 130.2 35.2 24.1 36.5 5 6 N T E +A 20 0A 17 15,-2.9 15,-3.2 -2,-0.5 2,-0.1 -0.961 64.0 27.4-144.1 156.6 31.6 24.0 35.3 6 7 N P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 198,-0.0 0.711 57.7-151.1 -76.3 174.4 29.5 25.0 33.5 7 8 N Q S S+ 0 0 165 1,-0.2 97,-2.8 96,-0.1 2,-0.3 0.808 80.6 18.2 -81.0 -31.7 31.4 26.2 30.4 8 9 N T E -e 104 0B 93 95,-0.2 2,-0.4 71,-0.0 -1,-0.2 -0.999 61.2-173.9-141.5 148.6 28.8 28.9 29.6 9 10 N I E -e 105 0B 12 95,-2.7 97,-2.5 -2,-0.3 2,-0.4 -1.000 3.0-170.1-137.1 135.4 25.9 30.6 31.3 10 11 N T E +e 106 0B 70 -2,-0.4 2,-0.3 95,-0.2 97,-0.2 -0.993 19.1 165.1-126.8 125.8 23.3 33.0 30.0 11 12 N K E -e 107 0B 39 95,-2.7 97,-2.4 -2,-0.4 2,-0.2 -0.926 34.7-112.2-135.1 162.6 21.0 34.9 32.5 12 13 N E E > -e 108 0B 87 -2,-0.3 3,-1.9 95,-0.2 60,-0.2 -0.621 51.1 -85.8 -86.2 148.5 18.6 37.8 32.6 13 14 N T T 3 S+ 0 0 52 95,-1.8 60,-0.2 -2,-0.2 -1,-0.1 -0.321 118.4 29.6 -43.2 131.5 19.4 41.0 34.6 14 15 N G T 3 S+ 0 0 45 58,-2.9 57,-0.5 1,-0.3 -1,-0.2 0.104 98.7 105.5 96.4 -20.6 18.3 40.4 38.3 15 16 N E < - 0 0 88 -3,-1.9 57,-2.9 57,-0.2 -1,-0.3 -0.152 63.5-129.3 -80.6-179.1 18.9 36.6 38.2 16 17 N S - 0 0 31 55,-0.2 2,-0.3 54,-0.2 54,-0.2 -0.894 15.5-160.1-130.4 164.0 21.8 34.8 39.8 17 18 N L E - B 0 69A 3 52,-1.9 52,-2.8 -2,-0.3 2,-0.4 -0.931 5.3-149.0-141.3 159.3 24.3 32.2 38.6 18 19 N T E - B 0 68A 52 -2,-0.3 2,-0.4 50,-0.2 50,-0.2 -0.997 4.6-165.1-136.3 126.8 26.5 29.6 40.2 19 20 N I E - B 0 67A 0 48,-2.7 48,-2.2 -2,-0.4 2,-0.4 -0.939 12.7-155.7-107.0 137.8 29.9 28.4 39.0 20 21 N N E -AB 5 66A 27 -15,-3.2 -15,-2.9 -2,-0.4 2,-0.4 -0.922 10.4-176.1-119.9 135.5 31.4 25.2 40.5 21 22 N a E -AB 4 65A 0 44,-2.7 44,-2.8 -2,-0.4 2,-0.4 -0.977 2.2-174.4-131.3 145.7 35.1 24.1 40.7 22 23 N V E -AB 3 64A 9 -19,-1.4 -19,-3.4 -2,-0.4 2,-0.7 -0.999 20.1-138.9-141.1 128.7 36.6 20.9 42.0 23 24 N L E +A 2 0A 1 40,-2.4 133,-0.4 -2,-0.4 2,-0.3 -0.860 36.8 167.7 -91.0 118.7 40.2 20.2 42.4 24 25 N R + 0 0 1 -23,-3.4 133,-0.2 -2,-0.7 3,-0.1 -0.762 46.1 37.0-124.9 172.7 40.9 16.6 41.3 25 26 N D S S+ 0 0 61 131,-2.6 2,-0.3 -2,-0.3 -1,-0.2 0.886 94.7 106.4 50.6 48.7 43.8 14.4 40.5 26 27 N S - 0 0 1 130,-0.2 -1,-0.2 -3,-0.2 130,-0.2 -0.996 65.4-148.4-155.5 143.0 45.9 15.9 43.3 27 28 N N + 0 0 103 -2,-0.3 2,-0.1 128,-0.1 127,-0.1 0.543 68.6 114.8 -84.5 -10.0 47.1 15.1 46.7 28 29 N b - 0 0 2 63,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.391 65.8-124.1 -72.9 140.4 46.9 18.7 47.7 29 30 N A - 0 0 59 -2,-0.1 2,-1.0 1,-0.1 58,-0.2 -0.461 25.2-113.8 -79.6 146.0 44.6 20.1 50.3 30 31 N L + 0 0 17 30,-0.4 56,-0.2 1,-0.2 33,-0.1 -0.740 56.2 149.9 -85.2 103.2 42.1 22.9 49.4 31 32 N S + 0 0 51 54,-1.4 2,-0.3 -2,-1.0 55,-0.2 0.790 60.4 8.2-103.8 -41.1 43.6 25.6 51.6 32 33 N S E -F 85 0B 54 53,-1.7 53,-2.4 2,-0.0 -1,-0.4 -0.911 63.2-159.1-149.9 151.9 42.8 29.0 49.7 33 34 N T E -F 84 0B 9 -2,-0.3 2,-0.3 51,-0.2 49,-0.0 -0.992 4.0-168.7-149.6 142.2 40.7 29.9 46.7 34 35 N Y E -F 83 0B 103 49,-2.4 49,-2.0 -2,-0.3 2,-0.4 -0.919 6.2-155.8-134.4 149.7 40.6 32.7 44.2 35 36 N W E -F 82 0B 2 13,-0.4 13,-2.7 -2,-0.3 2,-0.3 -0.989 13.1-176.2-131.0 142.0 38.2 33.9 41.5 36 37 N Y E -FG 81 47B 35 45,-2.4 45,-2.4 -2,-0.4 2,-0.3 -0.945 4.7-168.8-135.7 152.3 39.0 36.1 38.5 37 38 N R E -FG 80 46B 26 9,-2.3 9,-3.7 -2,-0.3 2,-0.5 -0.999 14.7-158.0-147.3 146.6 37.1 37.7 35.6 38 39 N K E -FG 79 45B 67 41,-2.2 41,-2.6 -2,-0.3 7,-0.2 -0.993 32.5-126.9-117.1 116.0 37.8 39.4 32.4 39 40 N K E > -F 78 0B 68 -2,-0.5 3,-2.0 5,-0.5 39,-0.3 -0.227 46.6 -74.3 -64.7 153.8 35.0 41.6 31.3 40 41 N S T 3 S+ 0 0 103 37,-1.3 -1,-0.2 1,-0.3 3,-0.1 -0.226 117.8 1.3 -62.5 129.5 33.7 40.9 27.8 41 42 N G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.055 106.2 121.7 84.4 -24.8 36.1 42.3 25.2 42 43 N S < - 0 0 49 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.0 -0.195 57.9-148.2 -76.8 163.9 38.6 43.5 27.8 43 44 N T + 0 0 134 -3,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.725 69.9 98.9 -92.9 -27.9 42.2 42.6 28.3 44 45 N N - 0 0 91 1,-0.1 2,-0.7 -5,-0.0 -5,-0.5 -0.471 58.8-155.3 -80.4 112.2 42.2 43.0 32.1 45 46 N E E -G 38 0B 63 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.781 24.6-160.8 -83.1 122.0 41.9 39.9 34.3 46 47 N E E -G 37 0B 58 -9,-3.7 -9,-2.3 -2,-0.7 2,-0.2 -0.809 16.6-118.7-105.2 143.9 40.4 41.3 37.5 47 48 N S E -G 36 0B 99 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.2 -0.571 26.0-131.5 -77.1 139.6 40.3 39.7 41.0 48 49 N I - 0 0 19 -13,-2.7 2,-0.6 -2,-0.2 -13,-0.4 -0.852 14.1-141.2 -92.2 119.5 36.9 39.0 42.4 49 50 N S - 0 0 103 -2,-0.6 5,-0.2 -15,-0.1 -15,-0.0 -0.745 22.4-126.0 -81.6 114.8 36.5 40.3 46.0 50 51 N K + 0 0 96 -2,-0.6 2,-0.2 3,-0.1 5,-0.1 -0.348 67.1 59.8 -60.7 142.0 34.4 37.8 48.0 51 52 N G B > S+C 54 0A 41 3,-2.5 3,-2.2 1,-0.1 2,-0.3 -0.451 77.7 36.2 126.4 165.8 31.3 39.2 49.7 52 53 N G T 3 S+ 0 0 78 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 -0.403 130.8 0.1 65.0-117.5 28.1 41.0 49.0 53 54 N R T 3 S+ 0 0 71 -2,-0.3 17,-2.3 1,-0.1 2,-0.8 0.653 123.7 77.6 -78.1 -16.7 26.7 39.7 45.7 54 55 N Y E < -CD 51 69A 34 -3,-2.2 -3,-2.5 15,-0.2 2,-0.7 -0.854 65.1-178.3 -98.0 104.4 29.6 37.3 45.3 55 56 N V E - D 0 68A 61 13,-3.2 13,-2.7 -2,-0.8 2,-0.4 -0.913 6.5-165.0-109.3 105.4 28.9 34.4 47.6 56 57 N E E - D 0 67A 42 -2,-0.7 2,-0.4 11,-0.2 11,-0.2 -0.760 1.7-167.0 -87.4 143.5 31.6 31.7 47.7 57 58 N T E - D 0 66A 92 9,-2.4 9,-2.4 -2,-0.4 2,-0.4 -0.998 6.9-164.7-128.9 134.3 30.8 28.3 49.3 58 59 N V E - D 0 65A 66 -2,-0.4 2,-0.5 7,-0.2 7,-0.2 -0.949 18.2-170.0-124.3 136.6 33.6 25.8 50.1 59 60 N N E >> - D 0 64A 90 5,-3.3 5,-1.8 -2,-0.4 4,-0.6 -0.909 7.4-173.3-119.1 103.3 33.7 22.1 50.9 60 61 N S T >45S+ 0 0 82 -2,-0.5 3,-0.9 1,-0.2 -30,-0.4 0.897 80.5 58.7 -65.6 -38.3 37.2 21.3 52.1 61 62 N G T 345S+ 0 0 46 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.865 116.5 30.7 -59.6 -43.7 36.5 17.6 52.2 62 63 N S T 345S- 0 0 39 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.381 105.8-123.9 -96.7 3.8 35.6 17.2 48.6 63 64 N K T <<5 + 0 0 10 -3,-0.9 -40,-2.4 -4,-0.6 2,-0.4 0.858 63.6 142.8 52.8 42.8 37.9 20.1 47.5 64 65 N S E < +BD 22 59A 25 -5,-1.8 -5,-3.3 -42,-0.2 2,-0.3 -0.873 25.5 174.5-115.3 139.8 34.9 21.8 45.9 65 66 N F E -BD 21 58A 0 -44,-2.8 -44,-2.7 -2,-0.4 2,-0.3 -0.983 5.7-172.2-145.0 142.4 34.3 25.6 45.8 66 67 N S E -BD 20 57A 24 -9,-2.4 -9,-2.4 -2,-0.3 2,-0.5 -0.941 15.0-145.3-135.7 153.3 31.6 27.5 44.1 67 68 N L E -BD 19 56A 0 -48,-2.2 -48,-2.7 -2,-0.3 2,-0.5 -0.990 10.9-166.6-120.6 121.6 30.8 31.2 43.4 68 69 N R E -BD 18 55A 111 -13,-2.7 -13,-3.2 -2,-0.5 2,-0.6 -0.887 6.5-160.8-102.0 128.9 27.2 32.3 43.4 69 70 N I E -BD 17 54A 0 -52,-2.8 -52,-1.9 -2,-0.5 3,-0.3 -0.974 11.3-158.8-114.4 120.2 26.7 35.7 41.9 70 71 N N + 0 0 36 -17,-2.3 -54,-0.2 -2,-0.6 -55,-0.1 -0.670 63.4 18.6 -98.7 155.0 23.4 37.4 42.8 71 72 N D S S- 0 0 105 -57,-0.5 -1,-0.2 -2,-0.2 -55,-0.2 0.912 84.7-149.9 57.5 50.5 21.5 40.2 41.2 72 73 N L - 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